![CAS 6952-68-7 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6952-68-7.gif)
CAS RN: 6952-68-7
[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3-THIOL
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS6952-68-7
- Purity/Analytical Methods: >99.0%
6952-68-7 / 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
Basic Information
CAS
6952-68-7
Multi CAS
No
Molecular Formula
C6H5N3S
Molecular Weight
151.190000
Exact Mass
151.020418
InChI
InChI=1S/C6H5N3S/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)
InChIKey
ZQMDNIPQCWNIMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.38
TPSA
33.09
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
0.6
Consensus LogP
1.07
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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